[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol

C12H19NOS — CID 97175553

IUPAC[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol
SMILESC[C@@H](c1cccs1)N1CCC(CO)CC1
InChIInChI=1S/C12H19NOS/c1-10(12-3-2-8-15-12)13-6-4-11(9-14)5-7-13/h2-3,8,10-11,14H,4-7,9H2,1H3/t10-/m0/s1
InChIKeyYJKXKMLXJNCJLG-JTQLQIEISA-N
MW225.36 g/mol
LogP2.51
Rot. Bonds3

About [1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol

[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol (PubChem CID 97175553) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is [1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol
PubChem CID97175553
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol
SMILESC[C@@H](c1cccs1)N1CCC(CO)CC1
InChIInChI=1S/C12H19NOS/c1-10(12-3-2-8-15-12)13-6-4-11(9-14)5-7-13/h2-3,8,10-11,14H,4-7,9H2,1H3/t10-/m0/s1
InChIKeyYJKXKMLXJNCJLG-JTQLQIEISA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol
CID 98084280
(3S)-1-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 93316384
N-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 71642773
[1-[(1S)-1-(furan-2-yl)ethyl]piperidin-4-yl]methanol
CID 95934404
[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
CID 64867112
4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 110901055
1,3,5-tris(1-thiophen-2-ylethyl)-1,3,5-triazinane
CID 68714918
[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol
CID 55021860
[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 111543771
2-cyclopropyl-2-thiophen-2-ylethanol
CID 64989110
[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol
CID 47524579
2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol
CID 114797177

Frequently Asked Questions

What is the IUPAC name of [1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol (CID 97175553) is [1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol is C[C@@H](c1cccs1)N1CCC(CO)CC1.
What is the InChIKey of [1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol?
The InChIKey is YJKXKMLXJNCJLG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(12-3-2-8-15-12)13-6-4-11(9-14)5-7-13/h2-3,8,10-11,14H,4-7,9H2,1H3/t10-/m0/s1.
What are the key properties of [1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol?
[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol has a molecular weight of 225.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 97175553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).